CID 130619919

1875954-36-1

Structural Information

Molecular Formula
C9H15N
SMILES
CC1(CN(C1)CCC#C)C
InChI
InChI=1S/C9H15N/c1-4-5-6-10-7-9(2,3)8-10/h1H,5-8H2,2-3H3
InChIKey
DEXKFAAPSSCDPE-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3,3-dimethylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.12045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 123.1
[M+Na]+ 160.10967 131.8
[M-H]- 136.11317 124.6
[M+NH4]+ 155.15427 137.8
[M+K]+ 176.08361 133.0
[M+H-H2O]+ 120.11771 108.8
[M+HCOO]- 182.11865 138.2
[M+CH3COO]- 196.13430 187.8
[M+Na-2H]- 158.09512 128.9
[M]+ 137.11990 126.0
[M]- 137.12100 126.0
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.