CID 15979484

2-cyclopropyl-1-methyl-1h-1,3-benzodiazol-5-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CN1C2=C(C=C(C=C2)N)N=C1C3CC3
InChI
InChI=1S/C11H13N3/c1-14-10-5-4-8(12)6-9(10)13-11(14)7-2-3-7/h4-7H,2-3,12H2,1H3
InChIKey
LNTJHRYKXIOPJI-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1-methylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

187.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 142.6
[M+Na]+ 210.10017 155.5
[M-H]- 186.10367 148.9
[M+NH4]+ 205.14477 158.0
[M+K]+ 226.07411 149.8
[M+H-H2O]+ 170.10821 135.3
[M+HCOO]- 232.10915 166.8
[M+CH3COO]- 246.12480 156.3
[M+Na-2H]- 208.08562 148.6
[M]+ 187.11040 145.7
[M]- 187.11150 145.7
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