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]+ 138.127726 123.1
[M+Na]+ 160.109668 131.8
[M-H]- 136.113174 124.6
[M+NH4]+ 155.154273 137.8
[M+K]+ 176.083608 133.0
[M+H-H2O]+ 120.117710 108.8
[M+HCOO]- 182.118651 138.2
[M+CH3COO]- 196.134301 187.8
[M+Na-2H]- 158.095116 128.9
[M]+ 137.11990142 126.0
[M]- 137.12099858 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.