CID 105428068

4-amino-1-methylpiperidine-3-carbonitrile

Structural Information

Molecular Formula
C7H13N3
SMILES
CN1CCC(C(C1)C#N)N
InChI
InChI=1S/C7H13N3/c1-10-3-2-7(9)6(4-8)5-10/h6-7H,2-3,5,9H2,1H3
InChIKey
CZMRSAUYYRMITI-UHFFFAOYSA-N
Compound name
4-amino-1-methylpiperidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.11095 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 128.3
[M+Na]+ 162.10017 136.4
[M-H]- 138.10367 129.6
[M+NH4]+ 157.14477 146.3
[M+K]+ 178.07411 134.5
[M+H-H2O]+ 122.10821 115.8
[M+HCOO]- 184.10915 145.0
[M+CH3COO]- 198.12480 189.4
[M+Na-2H]- 160.08562 132.5
[M]+ 139.11040 118.3
[M]- 139.11150 118.3
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