CID 139537

13669-28-8

Structural Information

Molecular Formula
C7H13N
SMILES
CN1CCC(=C)CC1
InChI
InChI=1S/C7H13N/c1-7-3-5-8(2)6-4-7/h1,3-6H2,2H3
InChIKey
XOLRMKKIFJFIOV-UHFFFAOYSA-N
Compound name
1-methyl-4-methylidenepiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

111.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 123.1
[M+Na]+ 134.09402 129.5
[M-H]- 110.09752 124.9
[M+NH4]+ 129.13862 144.7
[M+K]+ 150.06796 128.3
[M+H-H2O]+ 94.102060 117.4
[M+HCOO]- 156.10300 142.9
[M+CH3COO]- 170.11865 169.3
[M+Na-2H]- 132.07947 128.8
[M]+ 111.10425 118.2
[M]- 111.10535 118.2
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