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

69
Patents

241.10626 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 154.6
[M+Na]+ 264.09548 160.8
[M-H]- 240.09898 153.2
[M+NH4]+ 259.14008 169.5
[M+K]+ 280.06942 159.4
[M+H-H2O]+ 224.10352 147.9
[M+HCOO]- 286.10446 172.6
[M+CH3COO]- 300.12011 187.5
[M+Na-2H]- 262.08093 157.3
[M]+ 241.10571 154.6
[M]- 241.10681 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