CID 121207974

1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H14N2
SMILES
CC1(CC(C1)(CN)C#N)C
InChI
InChI=1S/C8H14N2/c1-7(2)3-8(4-7,5-9)6-10/h3-5,9H2,1-2H3
InChIKey
OITIWHCOLGQTAF-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-3,3-dimethylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.11569 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 129.4
[M+Na]+ 161.10491 137.9
[M-H]- 137.10841 133.5
[M+NH4]+ 156.14951 146.6
[M+K]+ 177.07885 139.4
[M+H-H2O]+ 121.11295 116.0
[M+HCOO]- 183.11389 148.0
[M+CH3COO]- 197.12954 192.6
[M+Na-2H]- 159.09036 135.7
[M]+ 138.11514 131.1
[M]- 138.11624 131.1
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

No patent data available for this compound.