CID 137942375

2703775-04-4

Structural Information

Molecular Formula
C9H17N
SMILES
CC(C)CC12CC(C1)(C2)N
InChI
InChI=1S/C9H17N/c1-7(2)3-8-4-9(10,5-8)6-8/h7H,3-6,10H2,1-2H3
InChIKey
BMBXJWIUNUJZKP-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

139.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 157.8
[M+Na]+ 162.12532 160.9
[M-H]- 138.12882 160.6
[M+NH4]+ 157.16992 164.7
[M+K]+ 178.09926 166.3
[M+H-H2O]+ 122.13336 144.6
[M+HCOO]- 184.13430 170.1
[M+CH3COO]- 198.14995 207.6
[M+Na-2H]- 160.11077 162.4
[M]+ 139.13555 180.6
[M]- 139.13665 180.6
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