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]+ 148.05237 129.7
[M+Na]+ 170.03431 137.9
[M-H]- 146.03781 131.6
[M+NH4]+ 165.07891 152.3
[M+K]+ 186.00825 135.7
[M+H-H2O]+ 130.04235 124.7
[M+HCOO]- 192.04329 146.4
[M+CH3COO]- 206.05894 172.1
[M+Na-2H]- 168.01976 132.6
[M]+ 147.04454 128.8
[M]- 147.04564 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