CID 62588040

1-[(2-hydroxyethyl)amino]cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC(C1)(C#N)NCCO
InChI
InChI=1S/C7H12N2O/c8-6-7(2-1-3-7)9-4-5-10/h9-10H,1-5H2
InChIKey
ZKCGLRFUQYMDNW-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethylamino)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 127.2
[M+Na]+ 163.08418 133.7
[M-H]- 139.08768 129.6
[M+NH4]+ 158.12878 141.6
[M+K]+ 179.05812 135.9
[M+H-H2O]+ 123.09222 112.1
[M+HCOO]- 185.09316 145.4
[M+CH3COO]- 199.10881 189.3
[M+Na-2H]- 161.06963 134.1
[M]+ 140.09441 128.3
[M]- 140.09551 128.3
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

No patent data available for this compound.