CID 284016

N-butyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C11H15N3
SMILES
CCCCNC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H15N3/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3,(H2,12,13,14)
InChIKey
OKKUCNXCFWODOE-UHFFFAOYSA-N
Compound name
N-butyl-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

11
Patents

189.1266 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 140.5
[M+Na]+ 212.11582 149.2
[M-H]- 188.11932 141.2
[M+NH4]+ 207.16042 159.7
[M+K]+ 228.08976 144.7
[M+H-H2O]+ 172.12386 133.1
[M+HCOO]- 234.12480 163.5
[M+CH3COO]- 248.14045 153.2
[M+Na-2H]- 210.10127 148.6
[M]+ 189.12605 141.0
[M]- 189.12715 141.0
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