CID 1712307

7-methylnaphthalene-2-carbaldehyde

Structural Information

Molecular Formula
C12H10O
SMILES
CC1=CC2=C(C=C1)C=CC(=C2)C=O
InChI
InChI=1S/C12H10O/c1-9-2-4-11-5-3-10(8-13)7-12(11)6-9/h2-8H,1H3
InChIKey
NLKUMKLMVSUUTN-UHFFFAOYSA-N
Compound name
7-methylnaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

170.07317 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08045 132.6
[M+Na]+ 193.06239 142.4
[M-H]- 169.06589 137.8
[M+NH4]+ 188.10699 154.6
[M+K]+ 209.03633 139.0
[M+H-H2O]+ 153.07043 126.9
[M+HCOO]- 215.07137 156.6
[M+CH3COO]- 229.08702 181.2
[M+Na-2H]- 191.04784 141.2
[M]+ 170.07262 133.9
[M]- 170.07372 133.9
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