CID 39345742

2-(aminomethyl)-1h-imidazole-5-carboxylic acid, 2-boc protected

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(N1)C(=O)O
InChI
InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)12-5-7-11-4-6(13-7)8(14)15/h4H,5H2,1-3H3,(H,11,13)(H,12,16)(H,14,15)
InChIKey
BTQYGWFZYNSARA-UHFFFAOYSA-N
Compound name
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

241.10626 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 154.6
[M+Na]+ 264.095478 160.8
[M-H]- 240.098984 153.2
[M+NH4]+ 259.140083 169.5
[M+K]+ 280.069418 159.4
[M+H-H2O]+ 224.103520 147.9
[M+HCOO]- 286.104461 172.6
[M+CH3COO]- 300.120111 187.5
[M+Na-2H]- 262.080926 157.3
[M]+ 241.10571142 154.6
[M]- 241.10680858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe