CID 30818327

Rac-(1r,2r)-2-ethoxycycloheptan-1-amine

Structural Information

Molecular Formula
C9H19NO
SMILES
CCO[C@@H]1CCCCC[C@H]1N
InChI
InChI=1S/C9H19NO/c1-2-11-9-7-5-3-4-6-8(9)10/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKey
UMQVSWNKTFNAEL-RKDXNWHRSA-N
Compound name
trans-(1R,2R)-2-ethoxycycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 131.6
[M+Na]+ 180.135888 134.0
[M-H]- 156.139394 135.0
[M+NH4]+ 175.180493 150.5
[M+K]+ 196.109828 137.5
[M+H-H2O]+ 140.143930 126.4
[M+HCOO]- 202.144871 151.6
[M+CH3COO]- 216.160521 181.6
[M+Na-2H]- 178.121336 135.2
[M]+ 157.14612142 124.3
[M]- 157.14721858 124.3
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.