CID 115076290

6-(cyclopropylmethoxy)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CC1COC2=CC3=C(CNCC3)C=C2
InChI
InChI=1S/C13H17NO/c1-2-10(1)9-15-13-4-3-12-8-14-6-5-11(12)7-13/h3-4,7,10,14H,1-2,5-6,8-9H2
InChIKey
ICOLAMRGGYPZFF-UHFFFAOYSA-N
Compound name
6-(cyclopropylmethoxy)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.9
[M+Na]+ 226.12023 154.5
[M-H]- 202.12373 151.7
[M+NH4]+ 221.16483 160.0
[M+K]+ 242.09417 150.0
[M+H-H2O]+ 186.12827 139.2
[M+HCOO]- 248.12921 165.2
[M+CH3COO]- 262.14486 158.0
[M+Na-2H]- 224.10568 153.2
[M]+ 203.13046 145.7
[M]- 203.13156 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe