CID 79038377

3,3-dimethyl-1-(prop-2-yn-1-yl)pyrrolidine

Structural Information

Molecular Formula
C9H15N
SMILES
CC1(CCN(C1)CC#C)C
InChI
InChI=1S/C9H15N/c1-4-6-10-7-5-9(2,3)8-10/h1H,5-8H2,2-3H3
InChIKey
OKDJNJPPTSSTMK-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-prop-2-ynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 127.9
[M+Na]+ 160.10967 138.1
[M-H]- 136.11317 128.9
[M+NH4]+ 155.15427 149.7
[M+K]+ 176.08361 134.3
[M+H-H2O]+ 120.11771 116.7
[M+HCOO]- 182.11865 143.8
[M+CH3COO]- 196.13430 182.9
[M+Na-2H]- 158.09512 132.0
[M]+ 137.11990 121.2
[M]- 137.12100 121.2
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.