CID 67153403

Bph35pa5qj

Structural Information

Molecular Formula
C10H19N
SMILES
CC(C)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1N
InChI
InChI=1S/C10H19N/c1-6(2)9-7-3-4-8(5-7)10(9)11/h6-10H,3-5,11H2,1-2H3/t7-,8+,9+,10+/m1/s1
InChIKey
SHXVJSFOJHMEEQ-KATARQTJSA-N
Compound name
(1S,2S,3S,4R)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

153.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.159026 138.6
[M+Na]+ 176.140968 144.8
[M-H]- 152.144474 140.9
[M+NH4]+ 171.185573 164.6
[M+K]+ 192.114908 142.8
[M+H-H2O]+ 136.149010 134.4
[M+HCOO]- 198.149951 158.8
[M+CH3COO]- 212.165601 181.8
[M+Na-2H]- 174.126416 139.2
[M]+ 153.15120142 135.0
[M]- 153.15229858 135.0
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

patents stripe