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

4
Patents

203.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.9
[M+Na]+ 226.120228 154.5
[M-H]- 202.123734 151.7
[M+NH4]+ 221.164833 160.0
[M+K]+ 242.094168 150.0
[M+H-H2O]+ 186.128270 139.2
[M+HCOO]- 248.129211 165.2
[M+CH3COO]- 262.144861 158.0
[M+Na-2H]- 224.105676 153.2
[M]+ 203.13046142 145.7
[M]- 203.13155858 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