CID 11434991

4-amino-1-methylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C7H13N3
SMILES
CN1CCC(CC1)(C#N)N
InChI
InChI=1S/C7H13N3/c1-10-4-2-7(9,6-8)3-5-10/h2-5,9H2,1H3
InChIKey
HUTRESLXFRPBOW-UHFFFAOYSA-N
Compound name
4-amino-1-methylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

139.11095 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 128.5
[M+Na]+ 162.10017 136.9
[M-H]- 138.10367 130.0
[M+NH4]+ 157.14477 148.1
[M+K]+ 178.07411 134.6
[M+H-H2O]+ 122.10821 116.6
[M+HCOO]- 184.10915 145.3
[M+CH3COO]- 198.12480 187.9
[M+Na-2H]- 160.08562 134.4
[M]+ 139.11040 118.5
[M]- 139.11150 118.5
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