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]+ 126.12773 128.2
[M+Na]+ 148.10967 135.0
[M-H]- 124.11317 130.3
[M+NH4]+ 143.15427 148.7
[M+K]+ 164.08361 135.4
[M+H-H2O]+ 108.11771 120.3
[M+HCOO]- 170.11865 146.4
[M+CH3COO]- 184.13430 172.0
[M+Na-2H]- 146.09512 135.2
[M]+ 125.11990 133.5
[M]- 125.12100 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