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]+ 185.10733 139.8
[M+Na]+ 207.08927 153.3
[M-H]- 183.09277 140.3
[M+NH4]+ 202.13387 158.1
[M+K]+ 223.06321 147.1
[M+H-H2O]+ 167.09731 126.5
[M+HCOO]- 229.09825 156.8
[M+CH3COO]- 243.11390 152.0
[M+Na-2H]- 205.07472 144.5
[M]+ 184.09950 137.2
[M]- 184.10060 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