CID 22666886

N-[(pyrrolidin-2-yl)methyl]acetamide dihydrochloride

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC(=O)NCC1CCCN1
InChI
InChI=1S/C7H14N2O/c1-6(10)9-5-7-3-2-4-8-7/h7-8H,2-5H2,1H3,(H,9,10)
InChIKey
CVQWLGWRTGXOIE-UHFFFAOYSA-N
Compound name
N-(pyrrolidin-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

142.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 132.7
[M+Na]+ 165.09983 137.5
[M-H]- 141.10333 132.8
[M+NH4]+ 160.14443 153.3
[M+K]+ 181.07377 136.1
[M+H-H2O]+ 125.10787 126.3
[M+HCOO]- 187.10881 153.3
[M+CH3COO]- 201.12446 172.2
[M+Na-2H]- 163.08528 136.1
[M]+ 142.11006 127.4
[M]- 142.11116 127.4
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