CID 23049848

1,5-dimethyl-3-azabicyclo[3.2.0]heptane

Structural Information

Molecular Formula
C8H15N
SMILES
CC12CCC1(CNC2)C
InChI
InChI=1S/C8H15N/c1-7-3-4-8(7,2)6-9-5-7/h9H,3-6H2,1-2H3
InChIKey
PTUWNRVFZNLHBD-UHFFFAOYSA-N
Compound name
1,5-dimethyl-3-azabicyclo[3.2.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

125.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 128.2
[M+Na]+ 148.109668 135.0
[M-H]- 124.113174 130.3
[M+NH4]+ 143.154273 148.7
[M+K]+ 164.083608 135.4
[M+H-H2O]+ 108.117710 120.3
[M+HCOO]- 170.118651 146.4
[M+CH3COO]- 184.134301 172.0
[M+Na-2H]- 146.095116 135.2
[M]+ 125.11990142 133.5
[M]- 125.12099858 133.5
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

patents stripe