CID 6451280

Ns00121585

Structural Information

Molecular Formula
C9H15NO
SMILES
C[C@H](C[C@@]1(CC=CC=C1)O)N
InChI
InChI=1S/C9H15NO/c1-8(10)7-9(11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3/t8-,9-/m1/s1
InChIKey
GEXXKSRVDUNDLK-RKDXNWHRSA-N
Compound name
(1R)-1-[(2R)-2-aminopropyl]cyclohexa-2,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 134.5
[M+Na]+ 176.104588 140.3
[M-H]- 152.108094 136.1
[M+NH4]+ 171.149193 156.2
[M+K]+ 192.078528 138.5
[M+H-H2O]+ 136.112630 129.7
[M+HCOO]- 198.113571 155.7
[M+CH3COO]- 212.129221 175.6
[M+Na-2H]- 174.090036 140.2
[M]+ 153.11482142 130.4
[M]- 153.11591858 130.4
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

No patent data available for this compound.