CID 65038074

1803603-43-1

Structural Information

Molecular Formula
C12H15N3
SMILES
CN1C2=C(C=C(C=C2)CN)N=C1C3CC3
InChI
InChI=1S/C12H15N3/c1-15-11-5-2-8(7-13)6-10(11)14-12(15)9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3
InChIKey
IZZYTSSRGLIYNN-UHFFFAOYSA-N
Compound name
(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 146.9
[M+Na]+ 224.11582 159.3
[M-H]- 200.11932 153.0
[M+NH4]+ 219.16042 161.7
[M+K]+ 240.08976 153.4
[M+H-H2O]+ 184.12386 139.4
[M+HCOO]- 246.12480 170.7
[M+CH3COO]- 260.14045 160.1
[M+Na-2H]- 222.10127 152.3
[M]+ 201.12605 150.3
[M]- 201.12715 150.3
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

No patent data available for this compound.