CID 154706266

3-ethynyl-3-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C7H11N
SMILES
CC1(CCNC1)C#C
InChI
InChI=1S/C7H11N/c1-3-7(2)4-5-8-6-7/h1,8H,4-6H2,2H3
InChIKey
JMXNNLMNFJISIN-UHFFFAOYSA-N
Compound name
3-ethynyl-3-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

109.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 123.2
[M+Na]+ 132.07837 132.9
[M-H]- 108.08187 122.8
[M+NH4]+ 127.12297 145.0
[M+K]+ 148.05231 128.7
[M+H-H2O]+ 92.086410 112.2
[M+HCOO]- 154.08735 138.2
[M+CH3COO]- 168.10300 174.1
[M+Na-2H]- 130.06382 128.1
[M]+ 109.08860 113.7
[M]- 109.08970 113.7
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