CID 59188306

147045-24-7

Structural Information

Molecular Formula
C12H20NO2
SMILES
CC1(CC(CC(N1[O])(C)C)OCC#C)C
InChI
InChI=1S/C12H20NO2/c1-6-7-15-10-8-11(2,3)13(14)12(4,5)9-10/h1,10H,7-9H2,2-5H3
InChIKey
POEBHISKBXRUBH-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.1494 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15668 140.3
[M+Na]+ 233.13862 151.0
[M-H]- 209.14212 141.9
[M+NH4]+ 228.18322 160.3
[M+K]+ 249.11256 147.8
[M+H-H2O]+ 193.14666 130.1
[M+HCOO]- 255.14760 154.0
[M+CH3COO]- 269.16325 196.5
[M+Na-2H]- 231.12407 144.6
[M]+ 210.14885 136.6
[M]- 210.14995 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe