CID 5365782

Perillartine

Structural Information

Molecular Formula
C10H15NO
SMILES
CC(=C)C1CCC(=CC1)/C=N/O
InChI
InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+
InChIKey
XCOJIVIDDFTHGB-YRNVUSSQSA-N
Compound name
(NE)-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

3372
Patents

165.11537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 136.9
[M+Na]+ 188.104588 142.2
[M-H]- 164.108094 140.0
[M+NH4]+ 183.149193 157.2
[M+K]+ 204.078528 140.3
[M+H-H2O]+ 148.112630 131.1
[M+HCOO]- 210.113571 158.9
[M+CH3COO]- 224.129221 181.4
[M+Na-2H]- 186.090036 140.9
[M]+ 165.11482142 133.2
[M]- 165.11591858 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe