CID 155978173

4-(aminomethyl)piperidine-1-carbonitrile dihydrochloride

Structural Information

Molecular Formula
C7H13N3
SMILES
C1CN(CCC1CN)C#N
InChI
InChI=1S/C7H13N3/c8-5-7-1-3-10(6-9)4-2-7/h7H,1-5,8H2
InChIKey
HBEPUKGCKLXVLQ-UHFFFAOYSA-N
Compound name
4-(aminomethyl)piperidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

139.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 128.3
[M+Na]+ 162.10017 135.5
[M-H]- 138.10367 129.2
[M+NH4]+ 157.14477 145.9
[M+K]+ 178.07411 133.5
[M+H-H2O]+ 122.10821 115.4
[M+HCOO]- 184.10915 144.9
[M+CH3COO]- 198.12480 188.4
[M+Na-2H]- 160.08562 133.1
[M]+ 139.11040 117.9
[M]- 139.11150 117.9
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