CID 65416048

3-ethenylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C=CC1(CCNC1)O
InChI
InChI=1S/C6H11NO/c1-2-6(8)3-4-7-5-6/h2,7-8H,1,3-5H2
InChIKey
UNHSJMFKUVVKAW-UHFFFAOYSA-N
Compound name
3-ethenylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 124.1
[M+Na]+ 136.073278 130.9
[M-H]- 112.076784 123.3
[M+NH4]+ 131.117883 147.5
[M+K]+ 152.047218 128.6
[M+H-H2O]+ 96.081320 119.5
[M+HCOO]- 158.082261 143.5
[M+CH3COO]- 172.097911 161.1
[M+Na-2H]- 134.058726 129.6
[M]+ 113.08351142 118.4
[M]- 113.08460858 118.4
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