CID 19812

3921-89-9

Structural Information

Molecular Formula
C12H20NO
SMILES
C[N+](C)(C)CC#CCC1CCCC1=O
InChI
InChI=1S/C12H20NO/c1-13(2,3)10-5-4-7-11-8-6-9-12(11)14/h11H,6-10H2,1-3H3/q+1
InChIKey
HFMAUZUNCIFQFL-UHFFFAOYSA-N
Compound name
trimethyl-[4-(2-oxocyclopentyl)but-2-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1545 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.161776 149.0
[M+Na]+ 217.143718 157.3
[M-H]- 193.147224 152.3
[M+NH4]+ 212.188323 168.5
[M+K]+ 233.117658 149.0
[M+H-H2O]+ 177.151760 140.2
[M+HCOO]- 239.152701 165.8
[M+CH3COO]- 253.168351 189.7
[M+Na-2H]- 215.129166 153.6
[M]+ 194.15395142 141.9
[M]- 194.15504858 141.9
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.