CID 213201

25708-10-5

Structural Information

Molecular Formula
C12H19NO
SMILES
CN(C)CC(CC#CC1=CCCC1)O
InChI
InChI=1S/C12H19NO/c1-13(2)10-12(14)9-5-8-11-6-3-4-7-11/h6,12,14H,3-4,7,9-10H2,1-2H3
InChIKey
VIMUGQXFLHZFRX-UHFFFAOYSA-N
Compound name
5-(cyclopenten-1-yl)-1-(dimethylamino)pent-4-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 149.6
[M+Na]+ 216.13589 156.5
[M-H]- 192.13939 151.0
[M+NH4]+ 211.18049 168.0
[M+K]+ 232.10983 153.2
[M+H-H2O]+ 176.14393 137.3
[M+HCOO]- 238.14487 166.0
[M+CH3COO]- 252.16052 194.0
[M+Na-2H]- 214.12134 150.0
[M]+ 193.14612 143.1
[M]- 193.14722 143.1
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.