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

1
Patents

137.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 127.9
[M+Na]+ 160.109668 138.1
[M-H]- 136.113174 128.9
[M+NH4]+ 155.154273 149.7
[M+K]+ 176.083608 134.3
[M+H-H2O]+ 120.117710 116.7
[M+HCOO]- 182.118651 143.8
[M+CH3COO]- 196.134301 182.9
[M+Na-2H]- 158.095116 132.0
[M]+ 137.11990142 121.2
[M]- 137.12099858 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

patents stripe