CID 62906422

1-(4-benzyloxan-4-yl)methanamine

Structural Information

Molecular Formula
C13H19NO
SMILES
C1COCCC1(CC2=CC=CC=C2)CN
InChI
InChI=1S/C13H19NO/c14-11-13(6-8-15-9-7-13)10-12-4-2-1-3-5-12/h1-5H,6-11,14H2
InChIKey
YHZHBSLUNSCPNV-UHFFFAOYSA-N
Compound name
(4-benzyloxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.9
[M+Na]+ 228.13589 152.1
[M-H]- 204.13939 153.7
[M+NH4]+ 223.18049 166.4
[M+K]+ 244.10983 150.4
[M+H-H2O]+ 188.14393 140.9
[M+HCOO]- 250.14487 168.1
[M+CH3COO]- 264.16052 185.8
[M+Na-2H]- 226.12134 154.7
[M]+ 205.14612 143.0
[M]- 205.14722 143.0
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

No patent data available for this compound.