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]+ 166.15903 135.8
[M+Na]+ 188.14097 145.2
[M-H]- 164.14447 136.4
[M+NH4]+ 183.18557 156.6
[M+K]+ 204.11491 140.9
[M+H-H2O]+ 148.14901 124.2
[M+HCOO]- 210.14995 151.0
[M+CH3COO]- 224.16560 188.3
[M+Na-2H]- 186.12642 138.9
[M]+ 165.15120 129.7
[M]- 165.15230 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.