CID 20811750

[(1h-1,3-benzodiazol-2-yl)methyl](propan-2-yl)amine

Structural Information

Molecular Formula
C11H15N3
SMILES
CC(C)NCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H15N3/c1-8(2)12-7-11-13-9-5-3-4-6-10(9)14-11/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKey
PDJPWMFBBIDZPM-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

189.1266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 141.4
[M+Na]+ 212.11582 149.8
[M-H]- 188.11932 142.3
[M+NH4]+ 207.16042 160.6
[M+K]+ 228.08976 145.8
[M+H-H2O]+ 172.12386 134.1
[M+HCOO]- 234.12480 163.4
[M+CH3COO]- 248.14045 184.1
[M+Na-2H]- 210.10127 148.3
[M]+ 189.12605 141.3
[M]- 189.12715 141.3
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