CID 68374643

2408964-93-0

Structural Information

Molecular Formula
C7H13N
SMILES
CC1(CC=CCN1)C
InChI
InChI=1S/C7H13N/c1-7(2)5-3-4-6-8-7/h3-4,8H,5-6H2,1-2H3
InChIKey
SDGVSROPEMTMQV-UHFFFAOYSA-N
Compound name
6,6-dimethyl-2,5-dihydro-1H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 123.4
[M+Na]+ 134.09402 130.1
[M-H]- 110.09752 124.1
[M+NH4]+ 129.13862 146.1
[M+K]+ 150.06796 128.6
[M+H-H2O]+ 94.102060 118.4
[M+HCOO]- 156.10300 143.0
[M+CH3COO]- 170.11865 165.6
[M+Na-2H]- 132.07947 131.3
[M]+ 111.10425 118.6
[M]- 111.10535 118.6
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