CID 130778656

1857949-17-7

Structural Information

Molecular Formula
C10H16ClN3O2
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(N1C)Cl
InChI
InChI=1S/C10H16ClN3O2/c1-10(2,3)16-9(15)13-6-8-12-5-7(11)14(8)4/h5H,6H2,1-4H3,(H,13,15)
InChIKey
QISBRFNBPSYQPZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-chloro-1-methylimidazol-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09311 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10039 155.9
[M+Na]+ 268.08233 165.0
[M-H]- 244.08583 157.4
[M+NH4]+ 263.12693 173.7
[M+K]+ 284.05627 162.2
[M+H-H2O]+ 228.09037 149.6
[M+HCOO]- 290.09131 172.7
[M+CH3COO]- 304.10696 193.0
[M+Na-2H]- 266.06778 159.3
[M]+ 245.09256 160.4
[M]- 245.09366 160.4
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

No patent data available for this compound.