CID 165463809

3-(methoxymethyl)pyrrolidine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
COCC1(CCNC1)C#N
InChI
InChI=1S/C7H12N2O/c1-10-6-7(4-8)2-3-9-5-7/h9H,2-3,5-6H2,1H3
InChIKey
RGACVHMPBVYHKC-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)pyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 127.8
[M+Na]+ 163.08418 136.8
[M-H]- 139.08768 128.4
[M+NH4]+ 158.12878 148.7
[M+K]+ 179.05812 134.0
[M+H-H2O]+ 123.09222 115.9
[M+HCOO]- 185.09316 145.1
[M+CH3COO]- 199.10881 182.4
[M+Na-2H]- 161.06963 133.5
[M]+ 140.09441 120.6
[M]- 140.09551 120.6
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.