CID 19832166

1-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
CC1(CCCC2=CC=CC=C21)C=O
InChI
InChI=1S/C12H14O/c1-12(9-13)8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9H,4,6,8H2,1H3
InChIKey
CXGQYHJVSLVHPE-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

174.10446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 136.7
[M+Na]+ 197.09368 144.5
[M-H]- 173.09718 141.2
[M+NH4]+ 192.13828 160.1
[M+K]+ 213.06762 141.6
[M+H-H2O]+ 157.10172 131.3
[M+HCOO]- 219.10266 157.8
[M+CH3COO]- 233.11831 180.3
[M+Na-2H]- 195.07913 144.9
[M]+ 174.10391 135.0
[M]- 174.10501 135.0
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