CID 43148777

1-(cyclopropylmethyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
C1CC1CN2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C11H13N3/c12-11-13-9-3-1-2-4-10(9)14(11)7-8-5-6-8/h1-4,8H,5-7H2,(H2,12,13)
InChIKey
WWFYTACYBRMYFI-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

187.11095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 142.1
[M+Na]+ 210.10017 154.1
[M-H]- 186.10367 148.0
[M+NH4]+ 205.14477 157.1
[M+K]+ 226.07411 148.5
[M+H-H2O]+ 170.10821 134.5
[M+HCOO]- 232.10915 166.3
[M+CH3COO]- 246.12480 155.4
[M+Na-2H]- 208.08562 148.8
[M]+ 187.11040 144.8
[M]- 187.11150 144.8
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