CID 9576126

2-(4-isobutylphenyl)propionaldehyde oxime

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C)CC1=CC=C(C=C1)C(C)/C=N/O
InChI
InChI=1S/C13H19NO/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14-15/h4-7,9-11,15H,8H2,1-3H3/b14-9+
InChIKey
TVVYFXMDNBMONX-NTEUORMPSA-N
Compound name
(NE)-N-[2-[4-(2-methylpropyl)phenyl]propylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 149.1
[M+Na]+ 228.135888 154.7
[M-H]- 204.139394 152.5
[M+NH4]+ 223.180493 168.0
[M+K]+ 244.109828 152.7
[M+H-H2O]+ 188.143930 142.8
[M+HCOO]- 250.144871 171.8
[M+CH3COO]- 264.160521 191.6
[M+Na-2H]- 226.121336 152.2
[M]+ 205.14612142 149.5
[M]- 205.14721858 149.5
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