CID 62507193

2-methyl-1-(propan-2-yl)-1h-1,3-benzodiazol-5-amine

Structural Information

Molecular Formula
C11H15N3
SMILES
CC1=NC2=C(N1C(C)C)C=CC(=C2)N
InChI
InChI=1S/C11H15N3/c1-7(2)14-8(3)13-10-6-9(12)4-5-11(10)14/h4-7H,12H2,1-3H3
InChIKey
JKXMTCVKOCPKAH-UHFFFAOYSA-N
Compound name
2-methyl-1-propan-2-ylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

189.1266 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 141.9
[M+Na]+ 212.11582 152.7
[M-H]- 188.11932 144.5
[M+NH4]+ 207.16042 162.2
[M+K]+ 228.08976 149.2
[M+H-H2O]+ 172.12386 135.0
[M+HCOO]- 234.12480 164.8
[M+CH3COO]- 248.14045 188.3
[M+Na-2H]- 210.10127 146.7
[M]+ 189.12605 143.5
[M]- 189.12715 143.5
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