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]+ 140.143376 157.8
[M+Na]+ 162.125318 160.9
[M-H]- 138.128824 160.6
[M+NH4]+ 157.169923 164.7
[M+K]+ 178.099258 166.3
[M+H-H2O]+ 122.133360 144.6
[M+HCOO]- 184.134301 170.1
[M+CH3COO]- 198.149951 207.6
[M+Na-2H]- 160.110766 162.4
[M]+ 139.13555142 180.6
[M]- 139.13664858 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