CID 79880989

3-methylpyrrolidine-1-carbonyl chloride

Structural Information

Molecular Formula
C6H10ClNO
SMILES
CC1CCN(C1)C(=O)Cl
InChI
InChI=1S/C6H10ClNO/c1-5-2-3-8(4-5)6(7)9/h5H,2-4H2,1H3
InChIKey
RWPQKMJZJUTLNC-UHFFFAOYSA-N
Compound name
3-methylpyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

147.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.052366 129.7
[M+Na]+ 170.034308 137.9
[M-H]- 146.037814 131.6
[M+NH4]+ 165.078913 152.3
[M+K]+ 186.008248 135.7
[M+H-H2O]+ 130.042350 124.7
[M+HCOO]- 192.043291 146.4
[M+CH3COO]- 206.058941 172.1
[M+Na-2H]- 168.019756 132.6
[M]+ 147.04454142 128.8
[M]- 147.04563858 128.8
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