CID 27291

2-propyl-2-imidazoline

Structural Information

Molecular Formula
C6H12N2
SMILES
CCCC1=NCCN1
InChI
InChI=1S/C6H12N2/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3,(H,7,8)
InChIKey
LFCYHAXVBWPGQR-UHFFFAOYSA-N
Compound name
2-propyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

328
Patents

112.10005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 123.9
[M+Na]+ 135.08927 131.1
[M-H]- 111.09277 123.0
[M+NH4]+ 130.13387 145.0
[M+K]+ 151.06321 129.5
[M+H-H2O]+ 95.097310 117.2
[M+HCOO]- 157.09825 144.6
[M+CH3COO]- 171.11390 165.6
[M+Na-2H]- 133.07472 129.7
[M]+ 112.09950 121.1
[M]- 112.10060 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe