CID 12637

1,2-dimethylpiperidine

Structural Information

Molecular Formula
C7H15N
SMILES
CC1CCCCN1C
InChI
InChI=1S/C7H15N/c1-7-5-3-4-6-8(7)2/h7H,3-6H2,1-2H3
InChIKey
MWUISCCBFHLWLY-UHFFFAOYSA-N
Compound name
1,2-dimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4102
Patents

113.12045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.127726 124.6
[M+Na]+ 136.109668 130.6
[M-H]- 112.113174 126.3
[M+NH4]+ 131.154273 146.1
[M+K]+ 152.083608 130.1
[M+H-H2O]+ 96.117710 118.8
[M+HCOO]- 158.118651 144.1
[M+CH3COO]- 172.134301 170.2
[M+Na-2H]- 134.095116 130.2
[M]+ 113.11990142 120.3
[M]- 113.12099858 120.3
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