CID 115873178

1566203-31-3

Structural Information

Molecular Formula
C11H19N
SMILES
CC1(CCN(C1)CCCC#C)C
InChI
InChI=1S/C11H19N/c1-4-5-6-8-12-9-7-11(2,3)10-12/h1H,5-10H2,2-3H3
InChIKey
HIBXAOZYQDWXKZ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-pent-4-ynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.159026 135.8
[M+Na]+ 188.140968 145.2
[M-H]- 164.144474 136.4
[M+NH4]+ 183.185573 156.6
[M+K]+ 204.114908 140.9
[M+H-H2O]+ 148.149010 124.2
[M+HCOO]- 210.149951 151.0
[M+CH3COO]- 224.165601 188.3
[M+Na-2H]- 186.126416 138.9
[M]+ 165.15120142 129.7
[M]- 165.15229858 129.7
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

No patent data available for this compound.