CID 2727594

339068-25-6

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCCCC1=CC(=C(C=C1)N=CNO)C
InChI
InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)
InChIKey
LYNOGBKNFIHKLE-UHFFFAOYSA-N
Compound name
N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

102
References

140
Patents

206.1419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.3
[M+Na]+ 229.13112 153.9
[M-H]- 205.13462 150.9
[M+NH4]+ 224.17572 166.2
[M+K]+ 245.10506 151.1
[M+H-H2O]+ 189.13916 140.6
[M+HCOO]- 251.14010 173.3
[M+CH3COO]- 265.15575 193.0
[M+Na-2H]- 227.11657 153.0
[M]+ 206.14135 148.2
[M]- 206.14245 148.2
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