CID 3853648

87022-36-4

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC=C2C(=C1)N=NN2CNC=O
InChI
InChI=1S/C8H8N4O/c13-6-9-5-12-8-4-2-1-3-7(8)10-11-12/h1-4,6H,5H2,(H,9,13)
InChIKey
AUDGAMZNNDGYAX-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

176.06981 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 133.1
[M+Na]+ 199.05903 143.7
[M-H]- 175.06253 134.3
[M+NH4]+ 194.10363 151.9
[M+K]+ 215.03297 140.6
[M+H-H2O]+ 159.06707 124.9
[M+HCOO]- 221.06801 157.6
[M+CH3COO]- 235.08366 146.9
[M+Na-2H]- 197.04448 143.2
[M]+ 176.06926 135.6
[M]- 176.07036 135.6
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