CID 29128

N-(1h-1,3-benzodiazol-2-yl)carbamate

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)O
InChI
InChI=1S/C8H7N3O2/c12-8(13)11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,12,13)(H2,9,10,11)
InChIKey
WEYSQARHSRZNTC-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-ylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1624
Patents

177.05383 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.0
[M+Na]+ 200.04305 142.4
[M-H]- 176.04655 133.1
[M+NH4]+ 195.08765 151.7
[M+K]+ 216.01699 138.8
[M+H-H2O]+ 160.05109 126.3
[M+HCOO]- 222.05203 155.1
[M+CH3COO]- 236.06768 175.2
[M+Na-2H]- 198.02850 141.1
[M]+ 177.05328 132.0
[M]- 177.05438 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe