CID 7574035

5,6-dimethyl-1-prop-2-ynylbenzimidazole

Structural Information

Molecular Formula
C12H12N2
SMILES
CC1=CC2=C(C=C1C)N(C=N2)CC#C
InChI
InChI=1S/C12H12N2/c1-4-5-14-8-13-11-6-9(2)10(3)7-12(11)14/h1,6-8H,5H2,2-3H3
InChIKey
MVASOUNOZMEWRN-UHFFFAOYSA-N
Compound name
5,6-dimethyl-1-prop-2-ynylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.10005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 139.8
[M+Na]+ 207.089268 153.3
[M-H]- 183.092774 140.3
[M+NH4]+ 202.133873 158.1
[M+K]+ 223.063208 147.1
[M+H-H2O]+ 167.097310 126.5
[M+HCOO]- 229.098251 156.8
[M+CH3COO]- 243.113901 152.0
[M+Na-2H]- 205.074716 144.5
[M]+ 184.09950142 137.2
[M]- 184.10059858 137.2
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